Molecule

ID:125516

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁O₇+
Molecular Mass
303.24364
Exact Mass
303.05047769
Charge
1
InChI
InChI=1S/C15H10O7/c16-8-2-1-6(3-9(8)17)15-11(19)4-7-12(22-15)5-10(18)14(21)13(7)20/h1-5H,(H5-,16,17,18,19,20,21)/p+1
InChIKey
PWDAKBACEAGRSH-UHFFFAOYSA-O
Canonic Smiles
Oc1cc2c([o+]c1c1ccc(c(c1)O)O)cc(c(c2O)O)O
Isomeric Smiles
Oc1ccc(cc1O)c1[o+]c2cc(O)c(O)c(O)c2cc1O
Calculated Properties
JChem
Acid pKa
5.5384064
H Acceptors
6
H Donor
6
LogD (pH = 5.5)
2.4731262
LogD (pH = 7.4)
0.27224976
Log P
2.7659
Molar Refractivity
86.094
Polarizability
30.959074
Polar Surface Area
134.52
Rotatable Bonds
1
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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